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CAS 956460-93-8 4-Fluoro-1H-pyrrolo[2,3-b… molecular structure lightbox
CAS RN: 956460-93-8

4-Fluoro-1H-pyrrolo[2,3-b…

  • Product code: SSC-211177
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 956460-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

956460-93-8 / 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Standard CAS: 956460-93-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956460-93-8
Multi CAS
Yes
Molecular Formula
C7FH5N2O
Molecular Weight
152.130000
Exact Mass
152.038591
InChI
InChI=1S/C7H5FN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChIKey
CNWDXMBVANPUCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.53
TPSA
41.99

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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